General Information of the Compound
| Compound ID |
CP0452778
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-((5-methylpyridin-3-yl)methoxy)phenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28ClN7O
|
||||||||||||||||||
| Molecular Weight |
478
|
||||||||||||||||||
| Canonical SMILES |
Cc1cncc(COc2ccc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28ClN7O/c1-17-10-18(13-28-12-17)15-34-23-3-2-21(11-22(23)26)31-25-24-19(4-9-33(24)30-16-29-25)14-32-7-5-20(27)6-8-32/h2-4,9-13,16,20H,5-8,14-15,27H2,1H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUJUYKXECYPXAW-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay